Methyl 3,4-dihydroxycinnamate
| Internal ID | 1fd94a46-8d22-4dce-a4a6-72bfb90b39ca |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC(=O)C=CC1=CC(=C(C=C1)O)O |
| SMILES (Isomeric) | COC(=O)C=CC1=CC(=C(C=C1)O)O |
| InChI | InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3 |
| InChI Key | OCNYGKNIVPVPPX-UHFFFAOYSA-N |
| Popularity | 63 references in papers |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.18 g/mol |
| Exact Mass | 194.05790880 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 1.50 |
| 3,4-dihydroxycinnamic acid methyl ester |
| 3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester |
| SCHEMBL198252 |
| OCNYGKNIVPVPPX-UHFFFAOYSA-N |
| AKOS024306911 |
| SY057957 |
| FT-0664193 |
| M2519 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.01% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.31% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.84% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.91% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.68% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.12% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 86.97% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.95% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.87% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.69% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.03% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.86% | 89.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| PubChem | 92202 |
| NPASS | NPC115400 |
| LOTUS | LTS0080306 |
| wikiData | Q105189482 |